Hi Rob,
On Mon, Aug 1, 2016 at 4:53 PM, Rob Smith <robtsm...@gmail.com> wrote: > > I've been playing around with the EmbedMultipleConfs function (in the > 2016.03.3 version of RDKit), to generate conformers for some molecules, and > have come across something that may be a bug/typo. > > When I've been using the enforceChirality tag - it appeared to do the > reverse of what I thought it would, ie setting this to True meant that any > existing chirality in the molecule was ignored (and was scrambled), setting > it to False meant the chirality was kept consistent with the originating > molecule. > > Is this expected behaviour? (and hence am I reading the documentation wrong > at > http://www.rdkit.org/Python_Docs/rdkit.Chem.rdDistGeom-module.html#EmbedMultipleConfs > ) > That's not the expected behavior, and it's not something I can reproduce. Can you please provide an example? Best, -greg
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